HFBTHO-AD: Differentiation of a nuclear energy density functional code
Fuente:
arXiv
Salvato in:
| Autori principali: | , , , , , |
|---|---|
| Natura: | Preprint |
| Pubblicazione: |
2025
|
| Soggetti: | |
| Accesso online: | |
| Tags: |
Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne!!
|
| _version_ | 1866917085278371840 |
|---|---|
| author | Hascoët, Laurent Menickelly, Matt Narayanan, Sri Hari Krishna O'Neal, Jared Schunck, Nicolas Wild, Stefan M. |
| author_facet | Hascoët, Laurent Menickelly, Matt Narayanan, Sri Hari Krishna O'Neal, Jared Schunck, Nicolas Wild, Stefan M. |
| contents | The HFBTHO code implements a nuclear energy density functional solver to model the structure of atomic nuclei. HFBTHO has previously been used to calibrate energy functionals and perform sensitivity analysis by using derivative-free methods. To enable derivative-based optimization and uncertainty quantification approaches, we must compute the derivatives of HFBTHO outputs with respect to the parameters of the energy functional, which are a subset of all input parameters of the code. We use the algorithmic/automatic differentiation (AD) tool Tapenade to differentiate HFBTHO. We compare the derivatives obtained using AD against finite-difference approximation and examine the performance of the derivative computation. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2508_11910 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | HFBTHO-AD: Differentiation of a nuclear energy density functional code Hascoët, Laurent Menickelly, Matt Narayanan, Sri Hari Krishna O'Neal, Jared Schunck, Nicolas Wild, Stefan M. Nuclear Theory The HFBTHO code implements a nuclear energy density functional solver to model the structure of atomic nuclei. HFBTHO has previously been used to calibrate energy functionals and perform sensitivity analysis by using derivative-free methods. To enable derivative-based optimization and uncertainty quantification approaches, we must compute the derivatives of HFBTHO outputs with respect to the parameters of the energy functional, which are a subset of all input parameters of the code. We use the algorithmic/automatic differentiation (AD) tool Tapenade to differentiate HFBTHO. We compare the derivatives obtained using AD against finite-difference approximation and examine the performance of the derivative computation. |
| title | HFBTHO-AD: Differentiation of a nuclear energy density functional code |
| topic | Nuclear Theory |
| url | https://arxiv.org/abs/2508.11910 |